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PUBCHEM-ZINC05834648

 MMsINC code: MMs03407325
Type: Neutral
Formula: C5H8O5
SMILES:   O1CC(=O)C(O)C(O)C1O
InChI:   InChI=1/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h3-5,7-9H,1H2/t3-,4+,5-/m1/s1

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Potential Energy
Epot(MMFF94)=36.7998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.114 g/mol  logS: 0.51352  SlogP: -2.3741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.376785  Sterimol/B1: 2.26443  Sterimol/B2: 2.96606  Sterimol/B3: 3.48421
  Sterimol/B4: 4.92223  Sterimol/L: 8.47466 
 
 Surface and Volume Properties
  Accessible surface: 296.181  Positive charged surface: 203.009  Negative charged surface: 93.1714  Volume: 120.5
  Hydrophobic surface: 104.128  Hydrophilic surface: 192.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.